1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C23H19N5OS3 — CID 16588205

About 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 16588205) has the molecular formula C23H19N5OS3 and a molecular weight of 477.64 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 16588205
• Molecular Formula: C23H19N5OS3
• Molecular Weight: 477.64 g/mol
• Exact Mass: 477.08
• IUPAC Name: 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: N#Cc1ccc(N2CCC(C(=O)Nc3nc(-c4cccs4)c(-c4cccs4)s3)CC2)nc1
• InChI: InChI=1S/C23H19N5OS3/c24-13-15-5-6-19(25-14-15)28-9-7-16(8-10-28)22(29)27-23-26-20(17-3-1-11-30-17)21(32-23)18-4-2-12-31-18/h1-6,11-12,14,16H,7-10H2,(H,26,27,29)
• InChIKey: TWQLQFABUVIFFJ-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 81.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.64
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 16588205) is 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3nc(-c4cccs4)c(-c4cccs4)s3)CC2)nc1.

What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is TWQLQFABUVIFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS3/c24-13-15-5-6-19(25-14-15)28-9-7-16(8-10-28)22(29)27-23-26-20(17-3-1-11-30-17)21(32-23)18-4-2-12-31-18/h1-6,11-12,14,16H,7-10H2,(H,26,27,29).

What are the key properties of 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 477.64 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyano-2-pyridinyl)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 16588205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).